2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol

C177H244F6N2O45S — CID 158679678

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC.C.C1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C(C)C#N.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3S2.C=C(CO)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(CO)C(=O)OC1CCOC1=O.C=CC#N.C=COC.C=COC(C)C.C=COC12CC3CC(CC(O)(C3)C1)C2.C=COC1=CC2CC1C1COC(=O)C21.C=COC1=CC2CC1CC21COC(=O)C1.C=COC1C2CC3C(=O)OC1C3C2.C=COC1C2CC3C(=O)OC1C3O2.C=COC1CC2CCC1C2.C=COC1CCCCC1.C=COCC.C=COCCCC.CC(O)(C1CC2C=CC1C2)C(F)(F)F.OC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C12H14O5.C12H14O3.C12H18O2.C11H12O5.C11H12O4S.C11H12O3.C10H13F3O.C10H12O3.C10H14O.C9H10O4.C9H14O.C8H9F3O.C8H10O5.C8H14O.C6H12O.C5H8O.C5H10O.C4H5N.C4H6O.C4H8O.C3H3N.C3H6O.2CH4/c1-5(4-13)11(14)16-9-6-2-7-8(3-6)12(15)17-10(7)9;1-2-14-10-4-9-3-8(10)5-12(9)6-11(13)15-7-12;1-2-14-12-6-9-3-10(7-12)5-11(13,4-9)8-12;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-4(2)10(12)14-7-6-3-5-9(16-6)8(7)15-11(5)13;1-2-13-9-4-6-3-7(9)8-5-14-11(12)10(6)8;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-11-7-5-3-4-6(12-5)8(7)13-9(4)10;1-2-10-9-6-7-3-4-8(9)5-7;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-5(4-9)7(10)13-6-2-3-12-8(6)11;1-2-9-8-6-4-3-5-7-8;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-4-6-5(2)3;1-4(2)3-5;1-2-4-5-3-1;1-3-5-4-2;1-2-3-4;1-3-4-2;;/h6-10,13H,1-4H2;2,4,8-9H,1,3,5-7H2;2,9-10,13H,1,3-8H2;2*5-9H,1,3H2,2H3;2,4,6-8,10H,1,3,5H2;2-3,6-8,14H,4-5H2,1H3;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;2,4-8H,1,3H2;2,7-9H,1,3-6H2;1-2,5-6,12H,3-4H2;6,9H,1-4H2;2,8H,1,3-7H2;4H,2-3,5-6H2,1H3;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1H2,2H3;1,3H,2,4H2;3H,1,4H2,2H3;2H,1H2;3H,1H2,2H3;2*1H4
InChIKeyIEYPGKVDBWSSQC-UHFFFAOYSA-N
MW3265.92 g/mol
LogP29.46
Rot. Bonds34

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol

2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 158679678) has the molecular formula C177H244F6N2O45S and a molecular weight of 3265.92 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID158679678
Molecular FormulaC177H244F6N2O45S
Molecular Weight3265.92 g/mol
Exact Mass3263.65
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC.C.C1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C(C)C#N.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3S2.C=C(CO)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(CO)C(=O)OC1CCOC1=O.C=CC#N.C=COC.C=COC(C)C.C=COC12CC3CC(CC(O)(C3)C1)C2.C=COC1=CC2CC1C1COC(=O)C21.C=COC1=CC2CC1CC21COC(=O)C1.C=COC1C2CC3C(=O)OC1C3C2.C=COC1C2CC3C(=O)OC1C3O2.C=COC1CC2CCC1C2.C=COC1CCCCC1.C=COCC.C=COCCCC.CC(O)(C1CC2C=CC1C2)C(F)(F)F.OC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C12H14O5.C12H14O3.C12H18O2.C11H12O5.C11H12O4S.C11H12O3.C10H13F3O.C10H12O3.C10H14O.C9H10O4.C9H14O.C8H9F3O.C8H10O5.C8H14O.C6H12O.C5H8O.C5H10O.C4H5N.C4H6O.C4H8O.C3H3N.C3H6O.2CH4/c1-5(4-13)11(14)16-9-6-2-7-8(3-6)12(15)17-10(7)9;1-2-14-10-4-9-3-8(10)5-12(9)6-11(13)15-7-12;1-2-14-12-6-9-3-10(7-12)5-11(13,4-9)8-12;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-4(2)10(12)14-7-6-3-5-9(16-6)8(7)15-11(5)13;1-2-13-9-4-6-3-7(9)8-5-14-11(12)10(6)8;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-11-7-5-3-4-6(12-5)8(7)13-9(4)10;1-2-10-9-6-7-3-4-8(9)5-7;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-5(4-9)7(10)13-6-2-3-12-8(6)11;1-2-9-8-6-4-3-5-7-8;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-4-6-5(2)3;1-4(2)3-5;1-2-4-5-3-1;1-3-5-4-2;1-2-3-4;1-3-4-2;;/h6-10,13H,1-4H2;2,4,8-9H,1,3,5-7H2;2,9-10,13H,1,3-8H2;2*5-9H,1,3H2,2H3;2,4,6-8,10H,1,3,5H2;2-3,6-8,14H,4-5H2,1H3;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;2,4-8H,1,3H2;2,7-9H,1,3-6H2;1-2,5-6,12H,3-4H2;6,9H,1-4H2;2,8H,1,3-7H2;4H,2-3,5-6H2,1H3;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1H2,2H3;1,3H,2,4H2;3H,1,4H2,2H3;2H,1H2;3H,1H2,2H3;2*1H4
InChIKeyIEYPGKVDBWSSQC-UHFFFAOYSA-N
XLogP29.46
TPSA612.01 Ų
H-Bond Donors5
H-Bond Acceptors48
Rotatable Bonds34
Heavy Atoms231
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003265.92
LogP ≤ 529.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 158679678) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is C.C.C1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C(C)C#N.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3S2.C=C(CO)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(CO)C(=O)OC1CCOC1=O.C=CC#N.C=COC.C=COC(C)C.C=COC12CC3CC(CC(O)(C3)C1)C2.C=COC1=CC2CC1C1COC(=O)C21.C=COC1=CC2CC1CC21COC(=O)C1.C=COC1C2CC3C(=O)OC1C3C2.C=COC1C2CC3C(=O)OC1C3O2.C=COC1CC2CCC1C2.C=COC1CCCCC1.C=COCC.C=COCCCC.CC(O)(C1CC2C=CC1C2)C(F)(F)F.OC1(C(F)(F)F)CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is IEYPGKVDBWSSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5.C12H14O3.C12H18O2.C11H12O5.C11H12O4S.C11H12O3.C10H13F3O.C10H12O3.C10H14O.C9H10O4.C9H14O.C8H9F3O.C8H10O5.C8H14O.C6H12O.C5H8O.C5H10O.C4H5N.C4H6O.C4H8O.C3H3N.C3H6O.2CH4/c1-5(4-13)11(14)16-9-6-2-7-8(3-6)12(15)17-10(7)9;1-2-14-10-4-9-3-8(10)5-12(9)6-11(13)15-7-12;1-2-14-12-6-9-3-10(7-12)5-11(13,4-9)8-12;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-4(2)10(12)14-7-6-3-5-9(16-6)8(7)15-11(5)13;1-2-13-9-4-6-3-7(9)8-5-14-11(12)10(6)8;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-11-7-5-3-4-6(12-5)8(7)13-9(4)10;1-2-10-9-6-7-3-4-8(9)5-7;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-5(4-9)7(10)13-6-2-3-12-8(6)11;1-2-9-8-6-4-3-5-7-8;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-4-6-5(2)3;1-4(2)3-5;1-2-4-5-3-1;1-3-5-4-2;1-2-3-4;1-3-4-2;;/h6-10,13H,1-4H2;2,4,8-9H,1,3,5-7H2;2,9-10,13H,1,3-8H2;2*5-9H,1,3H2,2H3;2,4,6-8,10H,1,3,5H2;2-3,6-8,14H,4-5H2,1H3;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;2,4-8H,1,3H2;2,7-9H,1,3-6H2;1-2,5-6,12H,3-4H2;6,9H,1-4H2;2,8H,1,3-7H2;4H,2-3,5-6H2,1H3;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1H2,2H3;1,3H,2,4H2;3H,1,4H2,2H3;2H,1H2;3H,1H2,2H3;2*1H4.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 3265.92 g/mol, XLogP of 29.46, 34 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;2,3-dihydrofuran;3,4-dihydro-2H-pyran;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;2-ethenoxyspiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;methane;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(hydroxymethyl)prop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 158679678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).